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Home > Other Heterocycles > 89398-35-6
89398-35-6 | Bicyclo[2.2.2]oct-5-en-2-one, 1,4-dimethyl-
CAS No: 89398-35-6 Catalog No: AG0058G7 MDL No:
Product Description
Catalog Number:
AG0058G7
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 1,4-dimethyl-
CAS Number:
89398-35-6
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
IUPAC Name:
1,4-dimethylbicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C10H14O/c1-9-3-5-10(2,6-4-9)8(11)7-9/h3,5H,4,6-7H2,1-2H3
InChI Key:
SMLMLUXFNGKSJJ-UHFFFAOYSA-N
SMILES:
O=C1CC2(C)CCC1(C)C=C2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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